3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide

C27H43NO2 — CID 11835262

IUPAC3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide
SMILESCC(C)(C)c1cc(C(=O)N(C2CCCCC2)C2CCCCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H43NO2/c1-26(2,3)22-17-19(18-23(24(22)29)27(4,5)6)25(30)28(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h17-18,20-21,29H,7-16H2,1-6H3
InChIKeyQSLCKHFBIOLNSN-UHFFFAOYSA-N
MW413.65 g/mol
LogP7.09
Rot. Bonds3

About 3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide

3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide (PubChem CID 11835262) has the molecular formula C27H43NO2 and a molecular weight of 413.65 g/mol. Its IUPAC name is 3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide
PubChem CID11835262
Molecular FormulaC27H43NO2
Molecular Weight413.65 g/mol
Exact Mass413.33
IUPAC Name3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide
SMILESCC(C)(C)c1cc(C(=O)N(C2CCCCC2)C2CCCCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H43NO2/c1-26(2,3)22-17-19(18-23(24(22)29)27(4,5)6)25(30)28(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h17-18,20-21,29H,7-16H2,1-6H3
InChIKeyQSLCKHFBIOLNSN-UHFFFAOYSA-N
XLogP7.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide?
The IUPAC name of 3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide (CID 11835262) is 3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide.
What is the SMILES notation for 3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide?
The canonical SMILES for 3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide is CC(C)(C)c1cc(C(=O)N(C2CCCCC2)C2CCCCC2)cc(C(C)(C)C)c1O.
What is the InChIKey of 3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide?
The InChIKey is QSLCKHFBIOLNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO2/c1-26(2,3)22-17-19(18-23(24(22)29)27(4,5)6)25(30)28(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h17-18,20-21,29H,7-16H2,1-6H3.
What are the key properties of 3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide?
3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide has a molecular weight of 413.65 g/mol, XLogP of 7.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide is sourced from PubChem (CID 11835262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).